(S)-2-(benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoxaline-6-carboxylic acid
Basic information
- Standard SMILES
C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2o1- InChIKey
CFNMSJUXFABTQT-ZDUSSCGKSA-N- Molecular formula
- C22H19N3O3
- Average molar mass
- 373.4 g/mol
Names & identifiers
- Preferred name
- (S)-2-(benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoxaline-6-carboxylic acid
- IUPAC
- 2-(1-benzofuran-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid
Names & synonyms
SCHEMBL9950207CHEMBL3719163CFNMSJUXFABTQT-ZDUSSCGKSA-N(S)-2-(benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoxaline-6-carboxylic acid
Database identifiers
- PubChem CID
- 67980366
- ChEMBL
CHEMBL3719163
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 587
Related reactions
1 records
Compound notes
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